1.0 2016-05-22 06:19:22 UTC 2026-08-18 20:41:38 UTC 4-Cyclohexyl-4-methyl-pentan-2-one SmallMolecule 4-Cyclohexyl-4-methyl-pentan-2-one is an organic compound with the formula C12H22O and an average molecular weight of 182.31 g/mol. 4-Cyclohexyl-4-methyl-pentan-2-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. Industrially, the substance is used as a fragrance. It has been recorded as being released from indoor air, dust, and atmospheric transport, with inhalation identified as a recorded exposure route. 4-cyclohexyl-4-methylpentan-2-one C12H22O 182.307 182.167065328 4-cyclohexyl-4-methylpentan-2-one 4-cyclohexyl-4-methylpentan-2-one 4927-39-3 CC(=O)CC(C)(C)C1CCCCC1 InChI=1S/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3 OAFJAALOFJVHMK-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Ketones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Hydrocarbon derivative Ketone Organic oxide Aliphatic homomonocyclic compounds Detected and Not Quantified logp 3.8 logp 4.05 ALOGPS logs -4.30 ALOGPS solubility 9.09e-03 g/l ALOGPS logp 3.44 ChemAxon pka_strongest_acidic 19.57 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 4-cyclohexyl-4-methylpentan-2-one ChemAxon average_mass 182.307 ChemAxon mono_mass 182.167065328 ChemAxon smiles CC(=O)CC(C)(C)C1CCCCC1 ChemAxon formula C12H22O ChemAxon inchi InChI=1S/C12H22O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h11H,4-9H2,1-3H3 ChemAxon inchikey OAFJAALOFJVHMK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 55.6 ChemAxon polarizability 22.43 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a8a07f90> 78640 70995